3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone

C14H23NO2 — CID 102648346

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCO2)CCNCC1
InChIInChI=1S/C14H23NO2/c1-2-6-14(7-9-15-10-8-14)13(16)12-5-3-4-11-17-12/h5,15H,2-4,6-11H2,1H3
InChIKeyWRYGZSPSOFBALB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.42
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone (PubChem CID 102648346) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone
PubChem CID102648346
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCO2)CCNCC1
InChIInChI=1S/C14H23NO2/c1-2-6-14(7-9-15-10-8-14)13(16)12-5-3-4-11-17-12/h5,15H,2-4,6-11H2,1H3
InChIKeyWRYGZSPSOFBALB-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone (CID 102648346) is 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)C2=CCCCO2)CCNCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone?
The InChIKey is WRYGZSPSOFBALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-6-14(7-9-15-10-8-14)13(16)12-5-3-4-11-17-12/h5,15H,2-4,6-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 102648346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).